2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    21834-98-0

    Molecular formula
    C7H10O2

    SMILES
    CC1CC(=C(C1=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 83.94%
    Burnt 63.49%
    Sweet 57.19%
    Roasted 42.26%
    Coffee 41.43%
    Nutty 28.45%
    Phenolic 26.59%
    Malty 24.32%
    Savory 23.14%
    Buttery 22.41%

     

    Flavor
    Caramel 62.81%
    Sweet 59.95%
    Maple 54.88%
    Sugar 39.12%
    Smoky 33.95%
    Candy 32.9%
    Phenolic 31.41%
    Tobacco 28.51%
    Cotton 26.0%
    Spice 25.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.27 (weak base)

    Molecular weight
    126.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 90.88 ˚C est.

  • Synonyms

    • 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-one
    • 21834-98-0
    • 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one
    • DTXSID50944440
    • RefChem:1063336
    • DTXCID501161800
    • 244-603-9
    • EINECS 244-603-9
    • SCHEMBL443100
    • 3,5-dimethylcyclopent-2-en-2-olone
    • NS00050761
    • 2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one #
    • 21834-98-0

  • Applications

    2-Hydroxy-3,5-dimethyl-2-cyclopenten-1-one (CAS 21834-98-0) is often used as an intermediate in fragrance and flavor chemistry, functioning as an odorant or fragrance fixative in perfumery and flavor formulations; it is also commonly evaluated as a building block in cosmetics and personal care to impart aroma; as an organic building block, it may serve as a precursor for the synthesis of other aroma-related compounds in plastics and polymers; in coatings and inks, it may be used as a fragrance additive or fixative; in household cleaning products, it can contribute scent in detergents and cleaners; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 696.13
    methanol 1365.05
    isopropanol 381.27
    water 163.22
    ethyl acetate 221.72
    n-propanol 428.35
    acetone 273.69
    n-butanol 356.67
    acetonitrile 290.27
    DMF 292.62
    toluene 43.13
    isobutanol 299.9
    1,4-dioxane 591.05
    methyl acetate 215.28
    THF 515.55
    2-butanone 176.16
    n-pentanol 262.85
    sec-butanol 263.92
    n-hexane 16.4
    ethylene glycol 331.82
    NMP 222.27
    cyclohexane 13.07
    DMSO 342.1
    n-butyl acetate 150.7
    n-octanol 135.88
    chloroform 441.6
    n-propyl acetate 136.1
    acetic acid 727.74
    dichloromethane 377.56
    cyclohexanone 193.94
    propylene glycol 197.05
    isopropyl acetate 140.93
    DMAc 160.98
    2-ethoxyethanol 554.48
    isopentanol 311.85
    n-heptane 12.94
    ethyl formate 212.29
    1,2-dichloroethane 210.72
    n-hexanol 219.41
    2-methoxyethanol 800.37
    isobutyl acetate 89.13
    tetrachloromethane 105.44
    n-pentyl acetate 131.05
    transcutol 1070.4
    n-heptanol 144.21
    ethylbenzene 40.76
    MIBK 168.18
    2-propoxyethanol 398.86
    tert-butanol 424.12
    MTBE 226.12
    2-butoxyethanol 273.2
    propionic acid 294.08
    o-xylene 48.36
    formic acid 921.16
    diethyl ether 238.44
    m-xylene 53.61
    p-xylene 59.96
    chlorobenzene 91.43
    dimethyl carbonate 80.16
    n-octane 8.58
    formamide 929.61
    cyclopentanone 250.48
    2-pentanone 176.0
    anisole 129.0
    cyclopentyl methyl ether 178.2
    gamma-butyrolactone 395.59
    1-methoxy-2-propanol 399.91
    pyridine 185.77
    3-pentanone 100.71
    furfural 375.38
    n-dodecane 7.44
    diethylene glycol 441.39
    diisopropyl ether 84.69
    tert-amyl alcohol 313.6
    acetylacetone 206.66
    n-hexadecane 8.08
    acetophenone 117.38
    methyl propionate 148.25
    isopentyl acetate 151.89
    trichloroethylene 396.51
    n-nonanol 113.79
    cyclohexanol 160.05
    benzyl alcohol 137.36
    2-ethylhexanol 106.5
    isooctanol 117.7
    dipropyl ether 84.58
    1,2-dichlorobenzene 108.67
    ethyl lactate 87.53
    propylene carbonate 212.64
    n-methylformamide 387.31
    2-pentanol 216.52
    n-pentane 18.51
    1-propoxy-2-propanol 222.11
    1-methoxy-2-propyl acetate 168.45
    2-(2-methoxypropoxy) propanol 196.56
    mesitylene 43.05
    ε-caprolactone 211.52
    p-cymene 41.12
    epichlorohydrin 425.18
    1,1,1-trichloroethane 195.78
    2-aminoethanol 487.08
    morpholine-4-carbaldehyde 391.79
    sulfolane 357.98
    2,2,4-trimethylpentane 17.77
    2-methyltetrahydrofuran 275.88
    n-hexyl acetate 182.9
    isooctane 18.08
    2-(2-butoxyethoxy)ethanol 325.59
    sec-butyl acetate 93.81
    tert-butyl acetate 188.89
    decalin 13.13
    glycerin 335.56
    diglyme 502.1
    acrylic acid 291.58
    isopropyl myristate 65.23
    n-butyric acid 324.39
    acetyl acetate 140.01
    di(2-ethylhexyl) phthalate 71.38
    ethyl propionate 108.45
    nitromethane 676.21
    1,2-diethoxyethane 241.39
    benzonitrile 136.55
    trioctyl phosphate 56.76
    1-bromopropane 101.62
    gamma-valerolactone 403.03
    n-decanol 79.96
    triethyl phosphate 55.65
    4-methyl-2-pentanol 155.05
    propionitrile 164.48
    vinylene carbonate 206.56
    1,1,2-trichlorotrifluoroethane 331.76
    DMS 126.26
    cumene 44.83
    2-octanol 101.7
    2-hexanone 128.3
    octyl acetate 82.23
    limonene 50.61
    1,2-dimethoxyethane 482.15
    ethyl orthosilicate 59.3
    tributyl phosphate 66.6
    diacetone alcohol 246.82
    N,N-dimethylaniline 92.04
    acrylonitrile 213.55
    aniline 106.19
    1,3-propanediol 579.98
    bromobenzene 71.0
    dibromomethane 214.64
    1,1,2,2-tetrachloroethane 295.69
    2-methyl-cyclohexyl acetate 94.92
    tetrabutyl urea 71.18
    diisobutyl methanol 79.85
    2-phenylethanol 146.78
    styrene 42.77
    dioctyl adipate 81.38
    dimethyl sulfate 123.28
    ethyl butyrate 100.99
    methyl lactate 109.98
    butyl lactate 112.2
    diethyl carbonate 68.03
    propanediol butyl ether 247.68
    triethyl orthoformate 78.07
    p-tert-butyltoluene 40.64
    methyl 4-tert-butylbenzoate 138.73
    morpholine 529.45
    tert-butylamine 252.5
    n-dodecanol 57.36
    dimethoxymethane 321.8
    ethylene carbonate 162.08
    cyrene 157.4
    2-ethoxyethyl acetate 199.15
    2-ethylhexyl acetate 100.95
    1,2,4-trichlorobenzene 123.93
    4-methylpyridine 155.75
    dibutyl ether 93.79
    2,6-dimethyl-4-heptanol 79.85
    DEF 156.67
    dimethyl isosorbide 260.2
    tetrachloroethylene 281.12
    eugenol 161.89
    triacetin 139.8
    span 80 159.76
    1,4-butanediol 268.36
    1,1-dichloroethane 199.03
    2-methyl-1-pentanol 223.74
    methyl formate 321.45
    2-methyl-1-butanol 255.22
    n-decane 12.84
    butyronitrile 174.38
    3,7-dimethyl-1-octanol 121.76
    1-chlorooctane 54.82
    1-chlorotetradecane 20.94
    n-nonane 11.55
    undecane 9.41
    tert-butylcyclohexane 16.92
    cyclooctane 6.93
    cyclopentanol 190.1
    tetrahydropyran 258.34
    tert-amyl methyl ether 154.7
    2,5,8-trioxanonane 321.67
    1-hexene 55.53
    2-isopropoxyethanol 325.16
    2,2,2-trifluoroethanol 350.61
    methyl butyrate 141.42

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction